1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine

C14H27N — CID 140999821

IUPAC1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine
SMILESCCCCC1(C2(NCC)CCC2)CCC1
InChIInChI=1S/C14H27N/c1-3-5-8-13(9-6-10-13)14(15-4-2)11-7-12-14/h15H,3-12H2,1-2H3
InChIKeyBPQFWHSWUBPIFS-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds6

About 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine

1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine (PubChem CID 140999821) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine
PubChem CID140999821
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine
SMILESCCCCC1(C2(NCC)CCC2)CCC1
InChIInChI=1S/C14H27N/c1-3-5-8-13(9-6-10-13)14(15-4-2)11-7-12-14/h15H,3-12H2,1-2H3
InChIKeyBPQFWHSWUBPIFS-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine?
The IUPAC name of 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine (CID 140999821) is 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine is CCCCC1(C2(NCC)CCC2)CCC1.
What is the InChIKey of 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine?
The InChIKey is BPQFWHSWUBPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-8-13(9-6-10-13)14(15-4-2)11-7-12-14/h15H,3-12H2,1-2H3.
What are the key properties of 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine?
1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclobutyl)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 140999821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).